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canSAR1690841
FEATURES
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NAMES
    SMILES
    O=C(O)C1=C/C(=C(/c2ccccc2)c2cc(C(=O)O)c(O)c3ccccc23)c2ccccc2C1=O.[Na+]
    InChI
    InChI=1S/C29H18O6.Na/c30-26-19-12-6-4-10-17(19)21(14-23(26)28(32)33)25(16-8-2-1-3-9-16)22-15-24(29(34)35)27(31)20-13-7-5-11-18(20)22;/h1-15,30H,(H,32,33)(H,34,35);/q;+1/b25-22+;
    MOLECULAR FORMULA
    C29H18NaO6+
    CROSS REFERENCES
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    canSAR1690841

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 485.10
    AlogP 2.41
    HBond donors 3
    HBond acceptors 6
    Atoms 54
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1690841.